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DocumentationIdentifier: MM246562
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246562 |
| SMILES |
C#CC(=C)NC(=O)C(C)C
|
| InChIKey |
HPHSZPJNCLLAMK-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142798
Similarity: 0.8175
Similarity to MM142798
| Tanimoto metric | 0.8175 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8996 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133907
Similarity: 0.754
Similarity to MM133907
| Tanimoto metric | 0.754 |
|---|---|
| Cosine metric | 0.8683 |
| Dice metric | 0.8597 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263861
Similarity: 0.7103
Similarity to MM263861
| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8308 |
| Dice metric | 0.8306 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+393 more
